3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride

C5H10ClF2NO — CID 121552524

IUPAC3-(difluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESC1CNCC1(C(F)F)O.Cl
InChIInChI=1S/C5H9F2NO.ClH/c6-4(7)5(9)1-2-8-3-5;/h4,8-9H,1-3H2;1H
InChIKeyBQWZRXPXOPMZIZ-UHFFFAOYSA-N
MW173.59 g/mol
LogP—
Rot. Bonds1

About 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride

3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride (PubChem CID 121552524) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride
PubChem CID121552524
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name3-(difluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESC1CNCC1(C(F)F)O.Cl
InChIInChI=1S/C5H9F2NO.ClH/c6-4(7)5(9)1-2-8-3-5;/h4,8-9H,1-3H2;1H
InChIKeyBQWZRXPXOPMZIZ-UHFFFAOYSA-N
XLogP—
TPSA32.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity109

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Trifluoromethyl)pyrrolidin-3-ol
CID 50990624
3-Methylpyrrolidin-3-ol
CID 14578458
3-Methylpyrrolidin-3-ol hydrochloride
CID 53346559
3-(Trifluoromethyl)pyrrolidin-3-ol hydrochloride
CID 54594885
(3R)-3-Methylpyrrolidin-3-ol
CID 55288331
4,4-Difluoropyrrolidin-3-ol hydrochloride
CID 89539070
3-Methoxy-3-(trifluoromethyl)pyrrolidine hydrochloride
CID 126809407
3-(Difluoromethyl)-3-methoxypyrrolidine hydrochloride
CID 165949884
rac-(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-ol hydrochloride
CID 165943346
(3S)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420888
(3R)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420890
(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59273044

Frequently Asked Questions

What is the IUPAC name of 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride?
The IUPAC name of 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride (CID 121552524) is 3-(difluoromethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride?
The canonical SMILES for 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride is C1CNCC1(C(F)F)O.Cl.
What is the InChIKey of 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride?
The InChIKey is BQWZRXPXOPMZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-4(7)5(9)1-2-8-3-5;/h4,8-9H,1-3H2;1H.
What are the key properties of 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride?
3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride has a molecular weight of 173.59 g/mol, XLogP of not available, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride is sourced from PubChem (CID 121552524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).